SCHEMBL3661649

SCHEMBL3661649

COc1cc(NCC(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NFKB1 P19838 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX5 P09917 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
MAOB P27338 2/20 0.48
KDM1A O60341 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sulfuric Acid SCHEMBL28773665 0.94 TSHR (0.50) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL7025686 0.87 TUBB4A (0.58) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL9125657 0.87 ALDH1A1 (0.52) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL3209008 0.84 POLB (0.55) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL4828261 0.83 ALDH1A1 (0.46) TSHRGAAALDH1A1TDP1HTT
Hydrochloric Acid SCHEMBL28474511 0.81 MAOB (0.50) TSHRGAAMEN1KMT2ASLC22A6
SCHEMBL9795549 0.81 ALDH1A1 (0.51) TSHRGAAALDH1A1TDP1HTT
SCHEMBL4716562 0.80 CA12 (0.54) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL714834 0.80 MAOB (0.52) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL851008 0.79 ERCC1 (0.60) TSHRGAAALDH1A1NFKB1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 US claimed
EP-1274670-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-01-15 EP claimed
WO-2001079147-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2001-10-25 WO claimed
JP-8217662-A None JP disclosed
CN-117844726-A Method for producing 3-methoxy-4-hydroxybenzaldehyde 杭州唯铂莱生物科技有限公司 2024-04-09 CN disclosed
US-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
JP-H08217662-A SKIN PREPARATION FOR EXTERNAL USE SHISEIDO CO LTD 1996-08-27 JP disclosed
US-4105690-A CONDENSATION NOBEL HOECHST CHIMIE (FR) 1978-08-08 US disclosed
US-3985739-A 3-Heterocyclic thiomethylcephalosporins SMITHKLINE CORPORATION (US) 1976-10-12 US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TSHR 1585/4885GAA 4225/4885ALDH1A1 565/4885
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC TSHR 2220/4885GAA 842/4885ALDH1A1 2963/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR TSHR 3312/4885GAA 35/4885ALDH1A1 1854/4885
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation AOX1, ALDH5A1, AOC2 TSHR 3851/4885GAA 852/4885ALDH1A1 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.